5-bromo-N-[(1R)-3-methyl-1-phenylbutyl]pyridine-3-carboxamide

C17H19BrN2O — CID 27853245

IUPAC5-bromo-N-[(1R)-3-methyl-1-phenylbutyl]pyridine-3-carboxamide
SMILESCC(C)C[C@@H](NC(=O)c1cncc(Br)c1)c1ccccc1
InChIInChI=1S/C17H19BrN2O/c1-12(2)8-16(13-6-4-3-5-7-13)20-17(21)14-9-15(18)11-19-10-14/h3-7,9-12,16H,8H2,1-2H3,(H,20,21)/t16-/m1/s1
InChIKeyQXURKCDPPKSCTK-MRXNPFEDSA-N
MW347.26 g/mol
LogP4.36
Rot. Bonds5

About 5-bromo-N-[(1R)-3-methyl-1-phenylbutyl]pyridine-3-carboxamide

5-bromo-N-[(1R)-3-methyl-1-phenylbutyl]pyridine-3-carboxamide (PubChem CID 27853245) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is 5-bromo-N-[(1R)-3-methyl-1-phenylbutyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(1R)-3-methyl-1-phenylbutyl]pyridine-3-carboxamide
PubChem CID27853245
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC Name5-bromo-N-[(1R)-3-methyl-1-phenylbutyl]pyridine-3-carboxamide
SMILESCC(C)C[C@@H](NC(=O)c1cncc(Br)c1)c1ccccc1
InChIInChI=1S/C17H19BrN2O/c1-12(2)8-16(13-6-4-3-5-7-13)20-17(21)14-9-15(18)11-19-10-14/h3-7,9-12,16H,8H2,1-2H3,(H,20,21)/t16-/m1/s1
InChIKeyQXURKCDPPKSCTK-MRXNPFEDSA-N
XLogP4.36
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methyl-1-phenylbutyl)benzamide
CID 46770250
5-bromo-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]pyridine-3-carboxamide
CID 9148597
3,4-dimethyl-N-(3-methyl-1-phenylbutyl)benzamide
CID 133160183
N-(2-bromo-1-phenylethyl)-5-methylpyridine-3-carboxamide
CID 113274774
5-bromo-N-[(1R)-1-pyridin-3-ylethyl]pyridine-3-carboxamide
CID 51546891
5-bromo-N-(5-methylhexan-2-yl)pyridine-3-carboxamide
CID 60628143
(2R)-2-[(5-bromopyridine-3-carbonyl)amino]propanoic acid
CID 28979301
4-amino-N-(3-methyl-1-phenylbutyl)benzamide
CID 43707132
5-bromo-N-[(1S)-1-(2-bromophenyl)ethyl]pyridine-3-carboxamide
CID 9220092
3-amino-N-(3-methyl-1-phenylbutyl)benzamide;hydrochloride
CID 119689331
N'-benzoyl-5-bromopyridine-3-carbohydrazide
CID 40613239
5-bromo-N-(3-methylbutyl)pyridine-3-carboxamide
CID 21352689

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1R)-3-methyl-1-phenylbutyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[(1R)-3-methyl-1-phenylbutyl]pyridine-3-carboxamide (CID 27853245) is 5-bromo-N-[(1R)-3-methyl-1-phenylbutyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[(1R)-3-methyl-1-phenylbutyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[(1R)-3-methyl-1-phenylbutyl]pyridine-3-carboxamide is CC(C)C[C@@H](NC(=O)c1cncc(Br)c1)c1ccccc1.
What is the InChIKey of 5-bromo-N-[(1R)-3-methyl-1-phenylbutyl]pyridine-3-carboxamide?
The InChIKey is QXURKCDPPKSCTK-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-12(2)8-16(13-6-4-3-5-7-13)20-17(21)14-9-15(18)11-19-10-14/h3-7,9-12,16H,8H2,1-2H3,(H,20,21)/t16-/m1/s1.
What are the key properties of 5-bromo-N-[(1R)-3-methyl-1-phenylbutyl]pyridine-3-carboxamide?
5-bromo-N-[(1R)-3-methyl-1-phenylbutyl]pyridine-3-carboxamide has a molecular weight of 347.26 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(1R)-3-methyl-1-phenylbutyl]pyridine-3-carboxamide is sourced from PubChem (CID 27853245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).